8-([1]benzofuro[3,2-b]pyridin-2-yl)-4-([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine

C33H17N3O3 — CID 153311745

IUPAC8-([1]benzofuro[3,2-b]pyridin-2-yl)-4-([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc2c(c1)oc1ccc(-c3ccc4oc5c(-c6ccnc7c6oc6ccccc67)ccnc5c4c3)nc12
InChIInChI=1S/C33H17N3O3/c1-3-7-25-21(5-1)29-28(37-25)12-10-24(36-29)18-9-11-27-23(17-18)31-33(39-27)20(14-16-35-31)19-13-15-34-30-22-6-2-4-8-26(22)38-32(19)30/h1-17H
InChIKeyICFOQGKLCMBFJT-UHFFFAOYSA-N
MW503.52 g/mol
LogP8.90
Rot. Bonds2

About 8-([1]benzofuro[3,2-b]pyridin-2-yl)-4-([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine

8-([1]benzofuro[3,2-b]pyridin-2-yl)-4-([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine (PubChem CID 153311745) has the molecular formula C33H17N3O3 and a molecular weight of 503.52 g/mol. Its IUPAC name is 8-([1]benzofuro[3,2-b]pyridin-2-yl)-4-([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name8-([1]benzofuro[3,2-b]pyridin-2-yl)-4-([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine
PubChem CID153311745
Molecular FormulaC33H17N3O3
Molecular Weight503.52 g/mol
Exact Mass503.13
IUPAC Name8-([1]benzofuro[3,2-b]pyridin-2-yl)-4-([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc2c(c1)oc1ccc(-c3ccc4oc5c(-c6ccnc7c6oc6ccccc67)ccnc5c4c3)nc12
InChIInChI=1S/C33H17N3O3/c1-3-7-25-21(5-1)29-28(37-25)12-10-24(36-29)18-9-11-27-23(17-18)31-33(39-27)20(14-16-35-31)19-13-15-34-30-22-6-2-4-8-26(22)38-32(19)30/h1-17H
InChIKeyICFOQGKLCMBFJT-UHFFFAOYSA-N
XLogP8.90
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.52
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-([1]benzofuro[3,2-b]pyridin-2-yl)-4-([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,8-bis([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine
CID 130191509
4-([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine
CID 142281054
4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-pyridin-4-ylphenyl]-8-pyridin-4-yl-[1]benzofuro[3,2-b]pyridine
CID 142336447
4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-[4-([1]benzofuro[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336336
4-[4-([1]benzofuro[3,2-b]pyridin-4-yl)naphthalen-1-yl]-8-fluoro-[1]benzofuro[3,2-b]pyridine
CID 142336489
4-phenyl-[1]benzofuro[3,2-b]pyridine
CID 90139239
4-[2,6-bis(8-phenyl-[1]benzofuro[3,2-b]pyridin-4-yl)-4-pyridinyl]-8-phenyl-[1]benzofuro[3,2-b]pyridine
CID 142336373
4-[3-[4-([1]benzofuro[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336353
8-(6-pyridin-2-yl-3-pyridinyl)-4-[4-[8-(6-pyridin-2-yl-3-pyridinyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336319
2,4-di(dibenzofuran-2-yl)pyrimidine
CID 121340967
2-pyrimidin-2-yl-[1]benzofuro[3,2-b]pyridine
CID 70205602
4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336371

Frequently Asked Questions

What is the IUPAC name of 8-([1]benzofuro[3,2-b]pyridin-2-yl)-4-([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 8-([1]benzofuro[3,2-b]pyridin-2-yl)-4-([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine (CID 153311745) is 8-([1]benzofuro[3,2-b]pyridin-2-yl)-4-([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 8-([1]benzofuro[3,2-b]pyridin-2-yl)-4-([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 8-([1]benzofuro[3,2-b]pyridin-2-yl)-4-([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine is c1ccc2c(c1)oc1ccc(-c3ccc4oc5c(-c6ccnc7c6oc6ccccc67)ccnc5c4c3)nc12.
What is the InChIKey of 8-([1]benzofuro[3,2-b]pyridin-2-yl)-4-([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine?
The InChIKey is ICFOQGKLCMBFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H17N3O3/c1-3-7-25-21(5-1)29-28(37-25)12-10-24(36-29)18-9-11-27-23(17-18)31-33(39-27)20(14-16-35-31)19-13-15-34-30-22-6-2-4-8-26(22)38-32(19)30/h1-17H.
What are the key properties of 8-([1]benzofuro[3,2-b]pyridin-2-yl)-4-([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine?
8-([1]benzofuro[3,2-b]pyridin-2-yl)-4-([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine has a molecular weight of 503.52 g/mol, XLogP of 8.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-([1]benzofuro[3,2-b]pyridin-2-yl)-4-([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 153311745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).